1,3-bis(2,2-dihydroxyethyl)-4,5-dihydroxyimidazolidin-2-one

C7H14N2O7 — CID 21219852

IUPAC1,3-bis(2,2-dihydroxyethyl)-4,5-dihydroxyimidazolidin-2-one
SMILESO=C1N(CC(O)O)C(O)C(O)N1CC(O)O
InChIInChI=1S/C7H14N2O7/c10-3(11)1-8-5(14)6(15)9(7(8)16)2-4(12)13/h3-6,10-15H,1-2H2
InChIKeyVQGZLZSTTBGSKH-UHFFFAOYSA-N
MW238.20 g/mol
LogP-4.02
Rot. Bonds4

About 1,3-bis(2,2-dihydroxyethyl)-4,5-dihydroxyimidazolidin-2-one

1,3-bis(2,2-dihydroxyethyl)-4,5-dihydroxyimidazolidin-2-one (PubChem CID 21219852) has the molecular formula C7H14N2O7 and a molecular weight of 238.20 g/mol. Its IUPAC name is 1,3-bis(2,2-dihydroxyethyl)-4,5-dihydroxyimidazolidin-2-one.

Molecular Properties

Compound Name1,3-bis(2,2-dihydroxyethyl)-4,5-dihydroxyimidazolidin-2-one
PubChem CID21219852
Molecular FormulaC7H14N2O7
Molecular Weight238.20 g/mol
Exact Mass238.08
IUPAC Name1,3-bis(2,2-dihydroxyethyl)-4,5-dihydroxyimidazolidin-2-one
SMILESO=C1N(CC(O)O)C(O)C(O)N1CC(O)O
InChIInChI=1S/C7H14N2O7/c10-3(11)1-8-5(14)6(15)9(7(8)16)2-4(12)13/h3-6,10-15H,1-2H2
InChIKeyVQGZLZSTTBGSKH-UHFFFAOYSA-N
XLogP-4.02
TPSA144.93 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.20
LogP ≤ 5-4.02
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Dimethyloldihydroxyethyleneurea
CID 15824
4,5-Dihydroxy-1,3-dimethylimidazolidin-2-one
CID 73539
1,3-Bis(methoxymethyl)-4,5-dihydroxy-2-imidazolidinone
CID 18144
2-Imidazolidinone, 1,3-bis(1-hydroxy-2,2-dimethoxyethyl)-
CID 205963
1,3-Diethyl-4,5-dihydroxyimidazolidin-2-one
CID 3146906
4,5-Dihydroxy-1,3-dimethylimidazolidin-2-one, trans-
CID 746935
1,3-Diacetyl-4,5-imidazolidinediol
CID 2829211
4,5-Dihydroxy-1,3-dimethylimidazolidin-2-one, cis-
CID 746933
4,5-Dihydroxyimidazolidine-1,3-dicarbaldehyde
CID 3685686
2-Imidazolidinone, 1-(2-hydroxyethyl)-3-methyl-
CID 11298035
4,5-Dihydroxy-1-(hydroxymethyl)-3-(methoxymethyl)imidazolidin-2-one
CID 86674
(4S,5S)-4,5-dihydroxy-1,3-dimethylimidazolidin-2-one
CID 746934

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,2-dihydroxyethyl)-4,5-dihydroxyimidazolidin-2-one?
The IUPAC name of 1,3-bis(2,2-dihydroxyethyl)-4,5-dihydroxyimidazolidin-2-one (CID 21219852) is 1,3-bis(2,2-dihydroxyethyl)-4,5-dihydroxyimidazolidin-2-one.
What is the SMILES notation for 1,3-bis(2,2-dihydroxyethyl)-4,5-dihydroxyimidazolidin-2-one?
The canonical SMILES for 1,3-bis(2,2-dihydroxyethyl)-4,5-dihydroxyimidazolidin-2-one is O=C1N(CC(O)O)C(O)C(O)N1CC(O)O.
What is the InChIKey of 1,3-bis(2,2-dihydroxyethyl)-4,5-dihydroxyimidazolidin-2-one?
The InChIKey is VQGZLZSTTBGSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O7/c10-3(11)1-8-5(14)6(15)9(7(8)16)2-4(12)13/h3-6,10-15H,1-2H2.
What are the key properties of 1,3-bis(2,2-dihydroxyethyl)-4,5-dihydroxyimidazolidin-2-one?
1,3-bis(2,2-dihydroxyethyl)-4,5-dihydroxyimidazolidin-2-one has a molecular weight of 238.20 g/mol, XLogP of -4.02, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,2-dihydroxyethyl)-4,5-dihydroxyimidazolidin-2-one is sourced from PubChem (CID 21219852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).